formula stringlengths 1 139 | smiles stringlengths 1 1.53k |
|---|---|
C21H24O12S | OC[C@@H]1O[C@H](SC2=C(O)C=C(O)C3=C2O[C@H](C2=CC(O)=C(O)C(O)=C2)[C@@H](O)C3)[C@@H](O)[C@H](O)[C@H]1O |
C37H43N3O8 | COC1=CC=C(C(CC(=O)NCCNC(=O)NC2=CC=CC=C2)C2=C(O)C=C3/C=C/CCCC(=O)CCC[C@H](C)OC(=O)C3=C2O)C=C1 |
C13H19N5O3 | CN1C(=O)C2=C(N=CN2CCN2CCOCC2)N(C)C1=O |
C31H28N4O4 | COC1=CC=CC(N2C(=O)[C@H]3[C@H](CC(C)C)N[C@@]4(C5=CC=CC=C5N5C4=NC4=CC=CC=C4C5=O)[C@H]3C2=O)=C1 |
C31H44O12 | CC(=O)O[C@@H]1C2[C@H]3[C@H](OC(=O)C(C)C)CC[C@]4(CO4)[C@]3(C)[C@@H](OC(C)=O)C[C@]2(C)O[C@]2(COC(=O)C2)[C@H]1OC(=O)C(C)C |
C17H18O3 | CCCCC1=CC(=O)OC2=CC(C)=C3C(C)=COC3=C12 |
C49H38O28 | O=C1OC[C@@H](O)[C@H]([C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H](O)C2=C(O)C=C(O)C3=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@H](O)C3)OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C1C=C(O)C(O)=C2O |
C53H90O6 | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCCCCCCCCCCC |
C50H80O23 | C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C |
C17H12O6 | O=C(O)COC1=CC(O)=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1 |
C61H110O6 | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC |
C11H16O4 | CC(C)CCC1=C(C(=O)O)C(CO)=CO1 |
C19H16BrNO2 | O=C(O)C1=CC=C2N[C@@H](C3=CC=CC(Br)=C3)[C@@H]3CC=C[C@@H]3C2=C1 |
C47H68O15 | COC1=CC=C(C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7C[C@@H]8O[C@@H](O)[C@H](C=C(C)C)[C@@H](C)[C@@H]8[C@@]7(CO)CC[C@@H]65)C4)O[C@H](CO)[C@H](O)[C@@H]3O)O[C@H]2C)C=C1 |
C21H20O4 | COC1=CC=CC2=CC3=C(C=C12)[C@]1(C)CC[C@H](O)[C@@H]2COC(=C21)C3=O |
C21H35NO3 | C[C@H]1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)CC[C@@H]1NC(=O)CC(C)(C)C |
C28H38N2O4 | CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCC1=CC=C(O)C(OC[N+]2=CC3=NC=CC3=C2)=C1 |
C20H30O4 | C=CC1=CC(=O)[C@H]2[C@@H](CC[C@H]3C(C)(C)[C@@H](O)[C@@H](O)[C@@H](O)[C@]23C)[C@H]1C |
C26H30N2O8 | C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2CC3CC4=C(CN3C(=O)[C@H]21)NC1=CC=CC=C41 |
C28H38O9 | CC(=O)O/C=C(/C=C/OC(C)=O)[C@H](C/C=C(/C=O)C[C@@H](/C=C(\C)CCC=C(C)C)OC(C)=O)OC(C)=O |
C19H16N2O2S | CC1=CC=C2OC(=O)C=C(CSC3=NC(C)=CC(C)=C3C#N)C2=C1 |
C20H32O3 | C=C1CCC(C(C)C)[C@@H]2C3OC(C[C@@]4(C)O[C@]3(C)CC[C@@H]4O)[C@H]12 |
C19H22O9 | CC(=O)CC1=CC(=O)C2=C(C)C=C(O)C([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)=C2O1 |
C21H23N3O3 | CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)N(CC1=CC=CC=C1)C1=CC=CC=C1O2 |
C14H15NO2 | C[C@H]1CC=C(C#N)O[C@@H]1OCC1=CC=CC=C1 |
C20H13NO6 | NC(=O)COC1=CC=C2C(C3=CC4=CC=CC=C4OC3=O)=CC(=O)OC2=C1 |
C40H62ClN9O15S | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C(Cl)=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](O)COS(=O)(=O)O)[C@@H](C)OC1=O |
C26H38O7 | C=C[C@@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@H]1[C@](C)(COC(C)=O)CC[C@H](O)[C@]21C |
C20H26O4 | C[C@@H]1C[C@H]2C(C)(C)[C@]23O[C@]2(C)C=C4C(=O)[C@@H](C)C[C@@]4(C1=O)[C@H]3[C@@H]2O |
C25H28N4O4 | CC(C)[C@H]1NC(=O)[C@@H](C[C@]2(O)C3=CC=CC=C3N3C(=O)[C@@H](CC4=CC=CC=C4)N[C@@H]32)NC1=O |
C22H34O4 | CC(=O)OC/C=C(\C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)O)[C@H]2CC[C@H]1C |
C34H47NO11 | C=C[C@@H]1[C@H](CC(=O)O)C(C(=O)OC)=CC[C@H]1O[C@@H]1O[C@H](CO)[C@]2(C=C3C=C([C@H](C)C4CCCC4)NC3=C(CCCO)O2)[C@H](O)[C@H]1O |
C33H60N12O11 | CC(=O)NC(CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)CC(=O)NC1[C@H](NC2=NC3C(O)CN=C(O)C3N2)OC(CO)[C@@H](OC(N)=O)[C@@H]1O |
C5H7BrN2O2 | CN1C[C@@H](Br)C(=O)NC1=O |
C9H13NO2 | CC1=C[C@H]([C@@H]2CCCN2)OC1=O |
Be | [Be+2] |
C20H26O6 | C=C1C(=O)O[C@@H]2C3[C@H](C=O)CCC[C@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12 |
C7H14O5 | CO[C@@H](C=O)[C@H](O)[C@H](O)[C@@H](C)O |
C14H17N5O5 | CN1C(=O)NC(=O)C2=C1N=C(NCC1=CC=CO1)N2C[C@H](O)CO |
C28H38O5 | C[C@@H]1[C@H](C)C(=O)O[C@@H]1[C@]1(O)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C |
C52H69N5O8S2 | CC(=O)O[C@H]1C[C@@H](O)CC[C@@]23C#C[C@@H]4C[C@@H]5C#CC(CNC[C@]6(C5)C[C@@H](CCN6)OC5=C(O)C=C(C(O)O)C(=C5)C[C@@H]41)SSC[C@@]1(C[C@@H]4C=C[C@H]5CCCC5(C4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O |
C33H42O14 | C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC/C=C/C2=CC(OC)=C3O[C@@H](C4=CC(OC)=C(OC)C(OC)=C4)[C@H](CO)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
C20H34O3 | C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O |
C31H28O16 | COC1=CC(/C=C\C(=O)OC[C@@H]2O[C@H](OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O |
C21H17N3O4 | CC(C)N1N=CC2=C(C3=CC=C(O)C(O)=C3)C3=C(N=C21)C1=CC=C(O)C=C1O3 |
C30H19NO8 | COC1=C(C(=O)O)[C@H](C)[C@@]23O[C@]24C2=CC(O)=C5C(=O)C6=CC=CC(O)=C6C(=O)C5=C2N[C@H]3C#C/C=C\C#C[C@H]14 |
C60H117N2O16P | CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCC(C)C |
C15H18O4 | C=C1C(=O)C=C[C@]2(C)C[C@@H]3OC(=O)[C@](C)(O)[C@H]3C[C@@H]12 |
C19H27N3O3 | O=C(CCC1=CC=NC(N2CCCC2)=C1)N1CCC2(CC1)OCCO2 |
C28H21NO9 | COC1=CC2=C(C=C1O)C(=O)C1=C(O)C3=C4C(O)=C5C(=O)N6CCO[C@]6(C)CC5=CC4=CC=C3C(O)=C1O2 |
C10H19NO2 | CCCCC(=O)NC(=O)CCCC |
C63H110O6 | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC |
C22H24O9 | COC1=CC([C@H]2OC[C@]3(O)[C@@H](C4=CC=C(O)C(OC)=C4)OC[C@]23OC(C)=O)=CC=C1O |
C23H16O5 | O=C1C[C@@H](C2=CC=C3OC(C4=CC=C(O)C=C4)=CC3=C2)OC2=CC(O)=CC=C12 |
C27H30O12 | CO[C@H]1[C@H](O[C@@H]2C3=C(O)C4=C(C=C3C[C@@](C)(O)[C@H]2OC)C(=O)C2=CC(O)=CC(O)=C2C4=O)O[C@@H](C)[C@@H](O)[C@H]1O |
C21H26N2O6S | CN1C(=O)C(C(=O)C[C@H](NC(CO)(CO)CO)C2=CC=CS2)=C(O)[C@H]2C=CC=C[C@H]21 |
C53H63N3O9S.Na | C[C@@H]1CCC2=CC3=CC=C2[C@H]1C[C@@H](S(=O)(=O)[O-])[C@H]1C=C2C[C@H](C[C@H]4C[C@@H](CO)CC#CC5=CC(O)=CC=C5[C@@H]2O4)[C@@H]1C1=CC=C(C=C1)[C@](N=C(N)N)([C@H]1C=C[C@@H]2CCC[C@]2(O)[C@@H]1CCO)O3.[Na+] |
C33H52O14 | CO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2[C@@H]3O[C@@H]3/C=C/C(=O)[C@](C)(O)CC[C@H](O[C@@H]3O[C@H](C)C[C@H](OC)[C@H]3O)C/C=C/C(=O)O[C@H]2C)[C@@H]1OC |
C20H24O7 | C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@H]4O[C@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 |
C78H149N2O19P | CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCC(C)C)CC(=O)NC1C(O)[C@H](O)C(CO)O[C@H]1OCC1O[C@H](OP(=O)(O)O)C(NC(=O)CC(O)CCCCCCCCCCCC(C)C)C(OC(=O)CC(O)CCCCCCCCCCCCC)[C@@H]1O |
C93H96O11 | COC[C@@H](CCO)C1=C(CO)C2=CC=C3O[C@]45CC=C[C@]6(C[C@@H]7C[C@@]8(CCC[C@@H]8CCC8=CC=CC=C8)[C@@H]8C/C(=C(\C)CO)C(=O)O[C@H]4[C@H](OC(=O)C[C@@H]4C[C@H](C9=C%10CC[C@@H]%11CCC[C@H]%12C=CC%13=CC=CC=C%13[C@@]%11%12C%10=CC=C9)C=C[C@H]4C4=CC7=C8C=C4)C3=C2OC1=O)[C@H]1C=CC2=CC=CC=C2[C@H]1C[C@@H]65 |
C28H46NO3 | C[C@H]1CC[C@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4CC(=O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3C[N@@+]2(C)C1 |
C16H16O8 | COC1=C[C@H]2C(=O)C3=C(C=C(O)C(OC)=C3O)O[C@@H]2[C@H](OC)C1=O |
C15H17N3O3 | CN1C(O)=C([C@H]2NCCC3=CC=CC=C32)C(=O)N(C)C1=O |
C60H59N3O20 | O=C(O)[C@@]12C#CC[C@@]3(O[C@@]45OC6=CC7=C(C(O)=C6[C@H](C6=CC8=C(N=C6CC6CCCC6)N[C@@H]6CCC[C@H]8C6)C=C4CC4=C(C#CC[C@]3(O)[C@H](O)[C@H]5O)C=CN4)C(=O)C=C(C3=CC(O)=C(O)C(CCO)=C3)O7)C(=O)O[C@@H](O1)[C@H](O)[C@@H](O)C2(O)O |
C46H48N4O9 | C/C=C(/C)C(=O)O[C@@H]1CC2=C3O[C@@]1(C)[C@H]1CC4=CN=C(N)C=C4CC[C@H]1[C@@H]1CCC4=CC=C(O)C=C4[C@@H](CO)[C@@H](C4=CC=NC(N)=C41)C3=C1OC(CO)=CC(=O)C1=C2O |
C48H82O18 | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C |
C48H69N7O15S4 | CC(C)O[C@H]1[C@H](O[C@@H]2OC=C3C(=O)O[C@H]4CC[C@H](CO)[C@@H]4CSS[C@@H]4[C@@H]5C[C@@H]6C[C@H](CC[C@@]2(/C=C/CSS5)[C@@H]3C=CC2=C(NC(=N)NCCCO)C(C(=O)O)=C[N+](=C2)[C@H]4CO)NC(N)=N6)O[C@H](CO)[C@@H](O)C1(O)O |
C20H20N2O2S | CCC1=NC(C2=CC=C(C(=O)NCC3=CC=C(OC)C=C3)C=C2)=CS1 |
C24H34O8 | CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CC[C@@H](O)[C@]21CO1 |
C17H19NO3 | O[C@@H]1CC=C2CCCN3CC4=CC5=C(C=C4[C@H]1[C@@H]23)OCO5 |
C36H58O9 | CC1(C)CC[C@]2(C(=O)O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
C57H90O23 | C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(=O)[C@H](C)CC)[C@H](O)[C@H](O)[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2CC1(C)C |
C60H74N2O13 | C=CCC1=CC=C(O[C@H]2O[C@H]3[C@@H](O)[C@H](O)[C@]24C[C@@H]([C@H](O)CC#CO[C@H]3CCCO)[C@]2(C=CO4)CC[C@@H]3[C@@](O)(C[C@H]4[C@H](C5=CC=C(C(=O)O)C=C5)CC[C@@H]5CCC[C@]534)C2)C=C1C[C@@H](COC)[C@@H](CO)N1C=CC(C#N)=C1 |
C27H30O17 | C[C@H]1O[C@@H](OC[C@@H]2O[C@@H](OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
C15H22O3 | C=C1CC[C@@H]2[C@H](/C=C(/C)CC[C@H]1O)OC(=O)[C@H]2C |
C38H44O22 | COC1=CC(C(=O)OC[C@H]2O[C@@H](OC(=O)C3=CC(OC)=C(O)C(OC)=C3)[C@H](O)[C@@H](O)[C@@H]2O)=CC=C1O[C@@H]1O[C@H](COC(=O)C2=CC(OC)=C(O)C(OC)=C2)[C@@H](O)[C@H](O)[C@H]1O |
C23H23NO4 | COC1=CC(C(=O)NC(C2=CC=CC=C2)C2=CC=CC=C2)=CC(OC)=C1OC |
C16H17NO4 | CC(C)[C@@H]1CC2=C(O1)N(C)C1=C3OCOC3=CC=C1C2=O |
C22H28N2O4 | COC(=O)C12C[C@@H]3CC(C(C)O)C1N(CCC1=C2NC2=CC=C(OC)C=C12)C3 |
C17H18O6 | COC1=CC=C(C(=O)O[C@@H]2[C@H]3CCO[C@@H]4OC[C@]5(O[C@@H]25)[C@@H]43)C=C1 |
C30H36O7 | C=C(C)[C@H](CC=C(C)C)CC1=C(O)C(CC=C(C)C)=C(O)C2=C1O[C@H](C1=CC=C(O)C=C1O)[C@@H](O)C2=O |
C18H15N3O | CN1C=CC2=CC(C(=O)NC3=CC=C4NC=CC4=C3)=CC=C21 |
C27H30BrNO2 | CCCCC[C@H]1CCN2C3=C1C=C(C(=O)O)C=C3[C@@H]1C=CC[C@@H]1[C@@H]2C1=CC=C(Br)C=C1 |
C13H17N3O | CC1(C)C2=CC=CC=C2N2CC(=O)N(N)[C@]21C |
C43H82O5 | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCCCC |
C8H8N2O2S2 | CN(C=O)C1=C2SCSC=C2NC1=O |
C22H29NO5 | CC(C)[C@H]1C(O)[C@@]2(O)OCCN3C(=O)C4=C5C3=C2[C@]1(C)CC[C@]5(C)CCC4=O |
C48H55N3O7 | CNC(=N)NC1=CC=CC(CCCC[C@H]2C=C(CCCO)C(O)=C[C@@H]2C[C@H]2CC(=O)CCC3=CC=C(OC)C(=C3)OCC3=CC4=CC=C(O)C(=C4C=C3)CC#CO2)=C1 |
C36H58O12 | CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
C22H32O6 | C=C1CC[C@@H]2CC[C@]34O[C@@]3(C2(C)C)[C@@](O)(CC(C)=C[C@@H](O)C1)O[C@@H]4OC(C)=O |
C10H20O2 | CC[C@H](C)COC(=O)[C@@H](C)CC |
C14H23N3S | C=C(C)[C@H]1CCC(C)=C1CC/C(C)=N/NC(N)=S |
C20H20O8 | COC1=CC(C2=CC(=O)C3=C(OC)C(OC)=C(OC)C=C3O2)=CC(OC)=C1O |
C20H40O2 | CCCCCCCCCCCCCCCCC(=O)OCCC |
C22H12O6 | CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C1=C(O3)C2=C(C=C1C)C(=O)C=CC2=O |
C39H45N3O6 | O=C(CCC1=CC=C(O)C(OC2CCCC2)=C1)CC(=O)[C@@H]1C(CNC2=CC=CN2)=CC2=C(C=CN2)[C@H]1C[C@H](O)CCC1=CC=CC(O)=C1 |
C73H108O33 | COC1=CC=C(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O[C@@H]2C)C=C1 |
C21H27N3O5 | COC1=CC=C(CNC(=O)C[C@@H]2O[C@H](CNCC3=CC=CC=N3)[C@@H](O)[C@H]2O)C=C1 |
C15H24 | C[C@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)CC=C[C@]213 |
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